4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine

C13H21N3 — CID 110198103

IUPAC4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine
SMILESCc1cnc(C2CCC2)n1C1CCNCC1
InChIInChI=1S/C13H21N3/c1-10-9-15-13(11-3-2-4-11)16(10)12-5-7-14-8-6-12/h9,11-12,14H,2-8H2,1H3
InChIKeyYJYUNEDOJVAMNC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds2

About 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine

4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine (PubChem CID 110198103) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine
PubChem CID110198103
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine
SMILESCc1cnc(C2CCC2)n1C1CCNCC1
InChIInChI=1S/C13H21N3/c1-10-9-15-13(11-3-2-4-11)16(10)12-5-7-14-8-6-12/h9,11-12,14H,2-8H2,1H3
InChIKeyYJYUNEDOJVAMNC-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine?
The IUPAC name of 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine (CID 110198103) is 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine.
What is the SMILES notation for 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine?
The canonical SMILES for 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine is Cc1cnc(C2CCC2)n1C1CCNCC1.
What is the InChIKey of 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine?
The InChIKey is YJYUNEDOJVAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-9-15-13(11-3-2-4-11)16(10)12-5-7-14-8-6-12/h9,11-12,14H,2-8H2,1H3.
What are the key properties of 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine?
4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-5-methylimidazol-1-yl)piperidine is sourced from PubChem (CID 110198103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).